3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene

C8H14S — CID 171814964

IUPAC3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene
SMILESCC12CCCC1CSC2
InChIInChI=1S/C8H14S/c1-8-4-2-3-7(8)5-9-6-8/h7H,2-6H2,1H3
InChIKeyUGAYBCZQZATYRY-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.54
Rot. Bonds

About 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene

3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene (PubChem CID 171814964) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene.

Molecular Properties

Compound Name3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene
PubChem CID171814964
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene
SMILESCC12CCCC1CSC2
InChIInChI=1S/C8H14S/c1-8-4-2-3-7(8)5-9-6-8/h7H,2-6H2,1H3
InChIKeyUGAYBCZQZATYRY-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
3-methyl-3-(thian-3-yl)pyrrolidine
CID 105441904
(3aS,3bR,5aR,9aS,9bS,11aS)-9a,11a-dimethyl-1,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydrophenanthro[1,2-c]thiophene
CID 14541662
(1-methylcyclopentyl)cyclohexane
CID 13217819
3-cyclopentyl-4,4-dimethylthian-3-ol
CID 79955805
(2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 170095403
1-methyl-3-(2-methylthiiran-2-yl)cyclohexane-1-thiol
CID 89251061
3-cycloheptyl-5,5-dimethylthian-3-ol
CID 82928190
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
1-cyclopentyl-2,2-dimethylcyclobutan-1-ol
CID 130554936

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
The IUPAC name of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene (CID 171814964) is 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene.
What is the SMILES notation for 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
The canonical SMILES for 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene is CC12CCCC1CSC2.
What is the InChIKey of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
The InChIKey is UGAYBCZQZATYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-8-4-2-3-7(8)5-9-6-8/h7H,2-6H2,1H3.
What are the key properties of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene?
3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene has a molecular weight of 142.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene is sourced from PubChem (CID 171814964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).